抄録
<p>We have been developing an original program named ABINIT-MP for fragment molecular orbital (FMO) calculations. Various functionalities for interaction analyses, e.g. PIEDA (Pair Interaction Energy Decomposition Analysis), have been augmented in Revision 10 and Revision 15 of the ABINIT-MP Open Series Version 1. In this Letter, we briefly describe such new features.</p>
| 寄稿の翻訳タイトル | Current Status of ABINIT-MP Open Series |
|---|---|
| 本文言語 | 日本語 |
| ページ（範囲） | 129-131 |
| ページ数 | 3 |
| ジャーナル | Journal of Computer Chemistry, Japan |
| 巻 | 18 |
| 号 | 3 |
| DOI | |
| 出版ステータス | 出版済み - 2019 |